USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 637 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0809) USER MOD Set 1.2: A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 140:sc= -0.145 (180deg=-2.14!) USER MOD Single : A 2 ASN : amide:sc= -0.193 K(o=-0.19,f=-5.5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -1.96! K(o=-2!,f=-0.43) USER MOD Single : A 17 THR OG1 : rot 133:sc= 1.05 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 140:sc= -0.801 USER MOD Single : A 35 SER OG : rot 180:sc= 0.00086 USER MOD Single : A 38 SER OG : rot 10:sc= -0.664 USER MOD Single : A 40 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.27) USER MOD Single : A 42 MET CE :methyl -163:sc= -0.0961 (180deg=-0.849) USER MOD Single : A 56 ASN : amide:sc=-0.00797 K(o=-0.008,f=-1.1!) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -144:sc= 1.1 USER MOD Single : A 65 SER OG : rot -170:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 144:sc= -0.48 (180deg=-1.86!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -149:sc= 0.746 (180deg=0.224) USER MOD Single : A 80 LYS NZ :NH3+ -114:sc= 1.15 (180deg=-0.787!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.463 -0.677 11.761 1.00 0.00 N ATOM 2 CA MET A 1 2.095 -0.282 10.479 1.00 0.00 C ATOM 3 C MET A 1 1.595 -1.154 9.324 1.00 0.00 C ATOM 4 O MET A 1 1.378 -0.659 8.217 1.00 0.00 O ATOM 5 CB MET A 1 3.624 -0.376 10.596 1.00 0.00 C ATOM 6 CG MET A 1 4.372 0.269 9.436 1.00 0.00 C ATOM 7 SD MET A 1 6.151 0.364 9.716 1.00 0.00 S ATOM 8 CE MET A 1 6.630 -1.353 9.593 1.00 0.00 C ATOM 0 H1 MET A 1 1.686 0.030 12.490 1.00 0.00 H new ATOM 0 H2 MET A 1 0.432 -0.733 11.637 1.00 0.00 H new ATOM 0 H3 MET A 1 1.827 -1.605 12.056 1.00 0.00 H new ATOM 0 HA MET A 1 1.816 0.750 10.265 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.937 0.098 11.526 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.910 -1.426 10.661 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.182 -0.300 8.526 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.981 1.273 9.271 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.575 -1.429 9.055 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.747 -1.771 10.593 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.861 -1.908 9.056 1.00 0.00 H new ATOM 17 N ASN A 2 1.391 -2.446 9.592 1.00 0.00 N ATOM 18 CA ASN A 2 0.981 -3.399 8.556 1.00 0.00 C ATOM 19 C ASN A 2 -0.374 -3.020 7.953 1.00 0.00 C ATOM 20 O ASN A 2 -0.540 -3.009 6.732 1.00 0.00 O ATOM 21 CB ASN A 2 0.927 -4.831 9.120 1.00 0.00 C ATOM 22 CG ASN A 2 -0.133 -5.024 10.196 1.00 0.00 C ATOM 23 OD1 ASN A 2 -0.431 -4.111 10.968 1.00 0.00 O ATOM 24 ND2 ASN A 2 -0.718 -6.209 10.245 1.00 0.00 N ATOM 0 H ASN A 2 1.503 -2.857 10.519 1.00 0.00 H new ATOM 0 HA ASN A 2 1.729 -3.361 7.764 1.00 0.00 H new ATOM 0 HB2 ASN A 2 0.734 -5.527 8.303 1.00 0.00 H new ATOM 0 HB3 ASN A 2 1.903 -5.087 9.533 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.443 -6.392 10.939 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -0.444 -6.940 9.589 1.00 0.00 H new ATOM 31 N ALA A 3 -1.333 -2.695 8.812 1.00 0.00 N ATOM 32 CA ALA A 3 -2.677 -2.333 8.367 1.00 0.00 C ATOM 33 C ALA A 3 -2.687 -0.910 7.827 1.00 0.00 C ATOM 34 O ALA A 3 -3.439 -0.586 6.906 1.00 0.00 O ATOM 35 CB ALA A 3 -3.680 -2.487 9.507 1.00 0.00 C ATOM 0 H ALA A 3 -1.206 -2.674 9.824 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.972 -3.009 7.564 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.675 -2.213 9.156 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.688 -3.523 9.847 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -3.395 -1.836 10.333 1.00 0.00 H new ATOM 41 N THR A 4 -1.819 -0.077 8.400 1.00 0.00 N ATOM 42 CA THR A 4 -1.668 1.315 7.990 1.00 0.00 C ATOM 43 C THR A 4 -1.437 1.419 6.479 1.00 0.00 C ATOM 44 O THR A 4 -1.961 2.320 5.814 1.00 0.00 O ATOM 45 CB THR A 4 -0.473 1.958 8.731 1.00 0.00 C ATOM 46 OG1 THR A 4 -0.615 1.770 10.150 1.00 0.00 O ATOM 47 CG2 THR A 4 -0.356 3.443 8.417 1.00 0.00 C ATOM 0 H THR A 4 -1.200 -0.351 9.163 1.00 0.00 H new ATOM 0 HA THR A 4 -2.588 1.842 8.243 1.00 0.00 H new ATOM 0 HB THR A 4 0.437 1.467 8.386 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.147 2.179 10.612 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.494 3.863 8.955 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.210 3.578 7.345 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.268 3.953 8.726 1.00 0.00 H new ATOM 55 N ILE A 5 -0.661 0.472 5.958 1.00 0.00 N ATOM 56 CA ILE A 5 -0.312 0.421 4.539 1.00 0.00 C ATOM 57 C ILE A 5 -1.555 0.409 3.646 1.00 0.00 C ATOM 58 O ILE A 5 -1.745 1.310 2.833 1.00 0.00 O ATOM 59 CB ILE A 5 0.566 -0.820 4.237 1.00 0.00 C ATOM 60 CG1 ILE A 5 1.868 -0.751 5.057 1.00 0.00 C ATOM 61 CG2 ILE A 5 0.868 -0.924 2.739 1.00 0.00 C ATOM 62 CD1 ILE A 5 2.697 -2.016 5.011 1.00 0.00 C ATOM 0 H ILE A 5 -0.255 -0.284 6.509 1.00 0.00 H new ATOM 0 HA ILE A 5 0.254 1.325 4.314 1.00 0.00 H new ATOM 0 HB ILE A 5 0.017 -1.716 4.526 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.472 0.079 4.690 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.619 -0.530 6.095 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.485 -1.803 2.552 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.066 -1.013 2.185 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.400 -0.031 2.412 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.596 -1.884 5.614 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.114 -2.848 5.406 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.979 -2.229 3.980 1.00 0.00 H new ATOM 74 N ARG A 6 -2.411 -0.602 3.800 1.00 0.00 N ATOM 75 CA ARG A 6 -3.612 -0.698 2.967 1.00 0.00 C ATOM 76 C ARG A 6 -4.662 0.324 3.406 1.00 0.00 C ATOM 77 O ARG A 6 -5.526 0.715 2.621 1.00 0.00 O ATOM 78 CB ARG A 6 -4.208 -2.117 2.976 1.00 0.00 C ATOM 79 CG ARG A 6 -4.705 -2.602 4.335 1.00 0.00 C ATOM 80 CD ARG A 6 -5.484 -3.911 4.205 1.00 0.00 C ATOM 81 NE ARG A 6 -5.887 -4.453 5.504 1.00 0.00 N ATOM 82 CZ ARG A 6 -7.138 -4.794 5.831 1.00 0.00 C ATOM 83 NH1 ARG A 6 -8.140 -4.602 4.974 1.00 0.00 N ATOM 84 NH2 ARG A 6 -7.380 -5.328 7.019 1.00 0.00 N ATOM 0 H ARG A 6 -2.300 -1.354 4.480 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.311 -0.474 1.944 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.038 -2.150 2.270 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.453 -2.814 2.613 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.857 -2.746 5.005 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.342 -1.840 4.785 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.371 -3.744 3.594 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.871 -4.645 3.683 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.162 -4.580 6.210 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.956 -4.191 4.059 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.091 -4.866 5.233 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -6.615 -5.476 7.677 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.332 -5.591 7.276 1.00 0.00 H new ATOM 98 N GLU A 7 -4.570 0.755 4.660 1.00 0.00 N ATOM 99 CA GLU A 7 -5.496 1.739 5.213 1.00 0.00 C ATOM 100 C GLU A 7 -5.442 3.047 4.422 1.00 0.00 C ATOM 101 O GLU A 7 -6.479 3.654 4.144 1.00 0.00 O ATOM 102 CB GLU A 7 -5.167 2.012 6.686 1.00 0.00 C ATOM 103 CG GLU A 7 -6.040 3.087 7.328 1.00 0.00 C ATOM 104 CD GLU A 7 -5.567 3.478 8.718 1.00 0.00 C ATOM 105 OE1 GLU A 7 -4.459 4.045 8.832 1.00 0.00 O ATOM 106 OE2 GLU A 7 -6.305 3.242 9.697 1.00 0.00 O ATOM 0 H GLU A 7 -3.858 0.436 5.317 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.504 1.330 5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.276 1.085 7.250 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.122 2.312 6.765 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.048 3.971 6.690 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.067 2.727 7.387 1.00 0.00 H new ATOM 113 N ILE A 8 -4.234 3.470 4.048 1.00 0.00 N ATOM 114 CA ILE A 8 -4.061 4.753 3.372 1.00 0.00 C ATOM 115 C ILE A 8 -4.801 4.775 2.032 1.00 0.00 C ATOM 116 O ILE A 8 -5.271 5.823 1.592 1.00 0.00 O ATOM 117 CB ILE A 8 -2.574 5.128 3.151 1.00 0.00 C ATOM 118 CG1 ILE A 8 -2.474 6.610 2.770 1.00 0.00 C ATOM 119 CG2 ILE A 8 -1.944 4.257 2.073 1.00 0.00 C ATOM 120 CD1 ILE A 8 -1.075 7.075 2.460 1.00 0.00 C ATOM 0 H ILE A 8 -3.371 2.949 4.200 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.491 5.500 4.039 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.027 4.955 4.078 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.107 6.794 1.902 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.872 7.211 3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.901 4.542 1.939 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.999 3.210 2.373 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.481 4.394 1.135 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.093 8.133 2.200 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.440 6.926 3.333 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.679 6.502 1.622 1.00 0.00 H new ATOM 132 N LEU A 9 -4.896 3.615 1.384 1.00 0.00 N ATOM 133 CA LEU A 9 -5.590 3.498 0.099 1.00 0.00 C ATOM 134 C LEU A 9 -7.024 4.024 0.195 1.00 0.00 C ATOM 135 O LEU A 9 -7.603 4.454 -0.801 1.00 0.00 O ATOM 136 CB LEU A 9 -5.584 2.041 -0.402 1.00 0.00 C ATOM 137 CG LEU A 9 -4.285 1.575 -1.091 1.00 0.00 C ATOM 138 CD1 LEU A 9 -4.041 2.361 -2.378 1.00 0.00 C ATOM 139 CD2 LEU A 9 -3.086 1.700 -0.153 1.00 0.00 C ATOM 0 H LEU A 9 -4.501 2.740 1.728 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.050 4.111 -0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.780 1.384 0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.410 1.913 -1.101 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.405 0.522 -1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.120 2.015 -2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.876 2.207 -3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.953 3.422 -2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.185 1.364 -0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.966 2.741 0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.250 1.084 0.731 1.00 0.00 H new ATOM 151 N ALA A 10 -7.587 3.985 1.397 1.00 0.00 N ATOM 152 CA ALA A 10 -8.946 4.465 1.631 1.00 0.00 C ATOM 153 C ALA A 10 -9.007 5.997 1.649 1.00 0.00 C ATOM 154 O ALA A 10 -10.027 6.588 1.295 1.00 0.00 O ATOM 155 CB ALA A 10 -9.487 3.894 2.937 1.00 0.00 C ATOM 0 H ALA A 10 -7.121 3.624 2.230 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.570 4.120 0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.501 4.259 3.101 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.497 2.805 2.881 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.850 4.209 3.763 1.00 0.00 H new ATOM 161 N LYS A 11 -7.913 6.634 2.067 1.00 0.00 N ATOM 162 CA LYS A 11 -7.887 8.090 2.257 1.00 0.00 C ATOM 163 C LYS A 11 -7.082 8.804 1.157 1.00 0.00 C ATOM 164 O LYS A 11 -7.579 9.745 0.535 1.00 0.00 O ATOM 165 CB LYS A 11 -7.345 8.422 3.661 1.00 0.00 C ATOM 166 CG LYS A 11 -6.051 7.697 4.018 1.00 0.00 C ATOM 167 CD LYS A 11 -5.701 7.823 5.499 1.00 0.00 C ATOM 168 CE LYS A 11 -5.455 9.266 5.922 1.00 0.00 C ATOM 169 NZ LYS A 11 -5.148 9.375 7.374 1.00 0.00 N ATOM 0 H LYS A 11 -7.032 6.167 2.281 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.909 8.462 2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.177 9.497 3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.105 8.171 4.401 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.145 6.643 3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.235 8.101 3.419 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.511 7.406 6.097 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.811 7.230 5.710 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.627 9.677 5.344 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.335 9.867 5.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.987 10.372 7.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.948 9.006 7.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.294 8.823 7.591 1.00 0.00 H new ATOM 183 N PHE A 12 -5.846 8.367 0.919 1.00 0.00 N ATOM 184 CA PHE A 12 -4.995 8.964 -0.121 1.00 0.00 C ATOM 185 C PHE A 12 -5.004 8.125 -1.398 1.00 0.00 C ATOM 186 O PHE A 12 -4.573 8.587 -2.456 1.00 0.00 O ATOM 187 CB PHE A 12 -3.551 9.117 0.380 1.00 0.00 C ATOM 188 CG PHE A 12 -3.343 10.281 1.318 1.00 0.00 C ATOM 189 CD1 PHE A 12 -3.572 10.146 2.680 1.00 0.00 C ATOM 190 CD2 PHE A 12 -2.914 11.510 0.838 1.00 0.00 C ATOM 191 CE1 PHE A 12 -3.378 11.211 3.540 1.00 0.00 C ATOM 192 CE2 PHE A 12 -2.720 12.577 1.693 1.00 0.00 C ATOM 193 CZ PHE A 12 -2.951 12.428 3.047 1.00 0.00 C ATOM 0 H PHE A 12 -5.407 7.601 1.430 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.404 9.948 -0.348 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.255 8.199 0.887 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.890 9.234 -0.479 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.906 9.197 3.073 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.729 11.634 -0.219 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.560 11.091 4.598 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.388 13.528 1.303 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.798 13.261 3.718 1.00 0.00 H new ATOM 203 N GLY A 13 -5.481 6.891 -1.292 1.00 0.00 N ATOM 204 CA GLY A 13 -5.496 5.999 -2.437 1.00 0.00 C ATOM 205 C GLY A 13 -6.460 6.455 -3.512 1.00 0.00 C ATOM 206 O GLY A 13 -7.669 6.514 -3.288 1.00 0.00 O ATOM 0 H GLY A 13 -5.858 6.491 -0.433 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.492 5.934 -2.857 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.770 4.996 -2.109 1.00 0.00 H new ATOM 210 N GLN A 14 -5.924 6.773 -4.685 1.00 0.00 N ATOM 211 CA GLN A 14 -6.732 7.227 -5.816 1.00 0.00 C ATOM 212 C GLN A 14 -7.339 6.028 -6.550 1.00 0.00 C ATOM 213 O GLN A 14 -7.285 5.938 -7.776 1.00 0.00 O ATOM 214 CB GLN A 14 -5.864 8.061 -6.772 1.00 0.00 C ATOM 215 CG GLN A 14 -5.091 9.179 -6.077 1.00 0.00 C ATOM 216 CD GLN A 14 -5.995 10.173 -5.363 1.00 0.00 C ATOM 217 OE1 GLN A 14 -7.118 10.432 -5.794 1.00 0.00 O ATOM 218 NE2 GLN A 14 -5.517 10.717 -4.254 1.00 0.00 N ATOM 0 H GLN A 14 -4.924 6.725 -4.880 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.546 7.850 -5.446 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.158 7.402 -7.277 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.501 8.496 -7.542 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.400 8.742 -5.356 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.488 9.709 -6.814 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.580 10.476 -3.930 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.086 11.377 -3.724 1.00 0.00 H new ATOM 227 N LEU A 15 -7.916 5.107 -5.782 1.00 0.00 N ATOM 228 CA LEU A 15 -8.521 3.902 -6.334 1.00 0.00 C ATOM 229 C LEU A 15 -9.973 4.192 -6.728 1.00 0.00 C ATOM 230 O LEU A 15 -10.737 4.723 -5.920 1.00 0.00 O ATOM 231 CB LEU A 15 -8.460 2.771 -5.291 1.00 0.00 C ATOM 232 CG LEU A 15 -8.756 1.354 -5.816 1.00 0.00 C ATOM 233 CD1 LEU A 15 -7.715 0.930 -6.846 1.00 0.00 C ATOM 234 CD2 LEU A 15 -8.810 0.348 -4.665 1.00 0.00 C ATOM 0 H LEU A 15 -7.976 5.176 -4.766 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.973 3.589 -7.223 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.467 2.771 -4.842 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.170 2.998 -4.495 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.732 1.372 -6.301 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.944 -0.074 -7.203 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.729 1.625 -7.685 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.726 0.935 -6.387 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.020 -0.646 -5.060 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.851 0.337 -4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.597 0.635 -3.967 1.00 0.00 H new ATOM 246 N PRO A 16 -10.381 3.853 -7.967 1.00 0.00 N ATOM 247 CA PRO A 16 -11.747 4.114 -8.439 1.00 0.00 C ATOM 248 C PRO A 16 -12.745 3.153 -7.802 1.00 0.00 C ATOM 249 O PRO A 16 -13.955 3.392 -7.785 1.00 0.00 O ATOM 250 CB PRO A 16 -11.652 3.878 -9.952 1.00 0.00 C ATOM 251 CG PRO A 16 -10.520 2.920 -10.127 1.00 0.00 C ATOM 252 CD PRO A 16 -9.560 3.173 -8.990 1.00 0.00 C ATOM 0 HA PRO A 16 -12.098 5.114 -8.182 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.581 3.466 -10.346 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.465 4.810 -10.485 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.878 1.891 -10.110 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.030 3.071 -11.089 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.140 2.242 -8.609 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.723 3.795 -9.307 1.00 0.00 H new ATOM 260 N THR A 17 -12.207 2.080 -7.250 1.00 0.00 N ATOM 261 CA THR A 17 -12.981 1.004 -6.681 1.00 0.00 C ATOM 262 C THR A 17 -12.846 1.021 -5.151 1.00 0.00 C ATOM 263 O THR A 17 -11.773 1.329 -4.633 1.00 0.00 O ATOM 264 CB THR A 17 -12.458 -0.321 -7.276 1.00 0.00 C ATOM 265 OG1 THR A 17 -12.760 -0.379 -8.679 1.00 0.00 O ATOM 266 CG2 THR A 17 -13.024 -1.538 -6.572 1.00 0.00 C ATOM 0 H THR A 17 -11.199 1.934 -7.186 1.00 0.00 H new ATOM 0 HA THR A 17 -14.039 1.115 -6.918 1.00 0.00 H new ATOM 0 HB THR A 17 -11.378 -0.338 -7.127 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.962 -0.658 -9.174 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.624 -2.442 -7.030 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.746 -1.511 -5.518 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.110 -1.537 -6.660 1.00 0.00 H new ATOM 274 N PRO A 18 -13.933 0.718 -4.406 1.00 0.00 N ATOM 275 CA PRO A 18 -13.918 0.750 -2.935 1.00 0.00 C ATOM 276 C PRO A 18 -12.883 -0.211 -2.341 1.00 0.00 C ATOM 277 O PRO A 18 -12.860 -1.396 -2.673 1.00 0.00 O ATOM 278 CB PRO A 18 -15.347 0.328 -2.541 1.00 0.00 C ATOM 279 CG PRO A 18 -15.901 -0.347 -3.752 1.00 0.00 C ATOM 280 CD PRO A 18 -15.253 0.323 -4.930 1.00 0.00 C ATOM 0 HA PRO A 18 -13.639 1.733 -2.555 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.337 -0.346 -1.684 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.950 1.192 -2.261 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -15.680 -1.414 -3.740 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.986 -0.246 -3.793 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.163 -0.354 -5.780 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.827 1.186 -5.269 1.00 0.00 H new ATOM 288 N VAL A 19 -12.043 0.312 -1.448 1.00 0.00 N ATOM 289 CA VAL A 19 -10.977 -0.466 -0.811 1.00 0.00 C ATOM 290 C VAL A 19 -11.553 -1.638 -0.007 1.00 0.00 C ATOM 291 O VAL A 19 -10.853 -2.604 0.293 1.00 0.00 O ATOM 292 CB VAL A 19 -10.115 0.440 0.109 1.00 0.00 C ATOM 293 CG1 VAL A 19 -8.957 -0.334 0.741 1.00 0.00 C ATOM 294 CG2 VAL A 19 -9.594 1.644 -0.674 1.00 0.00 C ATOM 0 H VAL A 19 -12.081 1.285 -1.145 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.343 -0.871 -1.600 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.751 0.794 0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.377 0.334 1.378 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.352 -1.154 1.340 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.316 -0.734 -0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.991 2.272 -0.018 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.983 1.299 -1.508 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.436 2.222 -1.056 1.00 0.00 H new ATOM 304 N ASP A 20 -12.835 -1.544 0.329 1.00 0.00 N ATOM 305 CA ASP A 20 -13.542 -2.619 1.029 1.00 0.00 C ATOM 306 C ASP A 20 -13.490 -3.933 0.242 1.00 0.00 C ATOM 307 O ASP A 20 -13.495 -5.018 0.827 1.00 0.00 O ATOM 308 CB ASP A 20 -15.003 -2.218 1.275 1.00 0.00 C ATOM 309 CG ASP A 20 -15.831 -3.350 1.867 1.00 0.00 C ATOM 310 OD1 ASP A 20 -15.567 -3.744 3.022 1.00 0.00 O ATOM 311 OD2 ASP A 20 -16.743 -3.856 1.175 1.00 0.00 O ATOM 0 H ASP A 20 -13.413 -0.728 0.127 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.042 -2.777 1.984 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -15.032 -1.361 1.948 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -15.451 -1.899 0.334 1.00 0.00 H new ATOM 316 N THR A 21 -13.429 -3.832 -1.083 1.00 0.00 N ATOM 317 CA THR A 21 -13.468 -5.012 -1.941 1.00 0.00 C ATOM 318 C THR A 21 -12.125 -5.751 -1.920 1.00 0.00 C ATOM 319 O THR A 21 -12.069 -6.965 -2.130 1.00 0.00 O ATOM 320 CB THR A 21 -13.851 -4.644 -3.400 1.00 0.00 C ATOM 321 OG1 THR A 21 -14.315 -5.809 -4.099 1.00 0.00 O ATOM 322 CG2 THR A 21 -12.671 -4.042 -4.159 1.00 0.00 C ATOM 0 H THR A 21 -13.353 -2.947 -1.585 1.00 0.00 H new ATOM 0 HA THR A 21 -14.238 -5.673 -1.544 1.00 0.00 H new ATOM 0 HB THR A 21 -14.645 -3.899 -3.349 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.555 -5.565 -5.017 1.00 0.00 H new ATOM 0 HG21 THR A 21 -12.979 -3.798 -5.176 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.337 -3.136 -3.653 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.853 -4.762 -4.191 1.00 0.00 H new ATOM 330 N ILE A 22 -11.051 -5.018 -1.637 1.00 0.00 N ATOM 331 CA ILE A 22 -9.709 -5.596 -1.594 1.00 0.00 C ATOM 332 C ILE A 22 -9.290 -5.858 -0.146 1.00 0.00 C ATOM 333 O ILE A 22 -9.967 -5.423 0.789 1.00 0.00 O ATOM 334 CB ILE A 22 -8.667 -4.682 -2.297 1.00 0.00 C ATOM 335 CG1 ILE A 22 -8.665 -3.275 -1.677 1.00 0.00 C ATOM 336 CG2 ILE A 22 -8.950 -4.612 -3.799 1.00 0.00 C ATOM 337 CD1 ILE A 22 -7.668 -2.323 -2.309 1.00 0.00 C ATOM 0 H ILE A 22 -11.084 -4.019 -1.433 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.740 -6.542 -2.135 1.00 0.00 H new ATOM 0 HB ILE A 22 -7.677 -5.114 -2.151 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.664 -2.849 -1.765 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.447 -3.359 -0.612 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.212 -3.968 -4.279 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.892 -5.613 -4.227 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.948 -4.205 -3.963 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.729 -1.353 -1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.661 -2.724 -2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.897 -2.207 -3.368 1.00 0.00 H new ATOM 349 N ALA A 23 -8.174 -6.560 0.038 1.00 0.00 N ATOM 350 CA ALA A 23 -7.733 -6.976 1.368 1.00 0.00 C ATOM 351 C ALA A 23 -6.289 -7.464 1.327 1.00 0.00 C ATOM 352 O ALA A 23 -5.640 -7.405 0.284 1.00 0.00 O ATOM 353 CB ALA A 23 -8.653 -8.067 1.915 1.00 0.00 C ATOM 0 H ALA A 23 -7.557 -6.853 -0.719 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.783 -6.114 2.034 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.312 -8.367 2.906 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.671 -7.684 1.982 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.632 -8.929 1.248 1.00 0.00 H new ATOM 359 N ASP A 24 -5.804 -7.956 2.464 1.00 0.00 N ATOM 360 CA ASP A 24 -4.419 -8.413 2.594 1.00 0.00 C ATOM 361 C ASP A 24 -4.066 -9.460 1.540 1.00 0.00 C ATOM 362 O ASP A 24 -2.984 -9.411 0.946 1.00 0.00 O ATOM 363 CB ASP A 24 -4.173 -8.993 3.994 1.00 0.00 C ATOM 364 CG ASP A 24 -4.325 -7.957 5.095 1.00 0.00 C ATOM 365 OD1 ASP A 24 -5.449 -7.783 5.607 1.00 0.00 O ATOM 366 OD2 ASP A 24 -3.319 -7.316 5.458 1.00 0.00 O ATOM 0 H ASP A 24 -6.354 -8.050 3.318 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.778 -7.545 2.440 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.872 -9.811 4.172 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.170 -9.417 4.036 1.00 0.00 H new ATOM 371 N GLU A 25 -4.975 -10.407 1.320 1.00 0.00 N ATOM 372 CA GLU A 25 -4.736 -11.510 0.387 1.00 0.00 C ATOM 373 C GLU A 25 -5.496 -11.314 -0.927 1.00 0.00 C ATOM 374 O GLU A 25 -5.459 -12.177 -1.809 1.00 0.00 O ATOM 375 CB GLU A 25 -5.142 -12.840 1.030 1.00 0.00 C ATOM 376 CG GLU A 25 -4.405 -13.146 2.329 1.00 0.00 C ATOM 377 CD GLU A 25 -4.730 -14.528 2.871 1.00 0.00 C ATOM 378 OE1 GLU A 25 -5.725 -14.664 3.613 1.00 0.00 O ATOM 379 OE2 GLU A 25 -3.996 -15.489 2.546 1.00 0.00 O ATOM 0 H GLU A 25 -5.887 -10.434 1.776 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.670 -11.525 0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.214 -12.826 1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.959 -13.647 0.320 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.331 -13.069 2.160 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.665 -12.396 3.076 1.00 0.00 H new ATOM 386 N ALA A 26 -6.178 -10.182 -1.059 1.00 0.00 N ATOM 387 CA ALA A 26 -6.946 -9.886 -2.266 1.00 0.00 C ATOM 388 C ALA A 26 -6.143 -8.968 -3.180 1.00 0.00 C ATOM 389 O ALA A 26 -5.783 -7.860 -2.788 1.00 0.00 O ATOM 390 CB ALA A 26 -8.291 -9.261 -1.910 1.00 0.00 C ATOM 0 H ALA A 26 -6.216 -9.453 -0.346 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.143 -10.818 -2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.847 -9.049 -2.823 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.861 -9.953 -1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.127 -8.334 -1.361 1.00 0.00 H new ATOM 396 N ASP A 27 -5.869 -9.447 -4.393 1.00 0.00 N ATOM 397 CA ASP A 27 -5.034 -8.727 -5.356 1.00 0.00 C ATOM 398 C ASP A 27 -5.577 -7.319 -5.636 1.00 0.00 C ATOM 399 O ASP A 27 -6.532 -7.137 -6.392 1.00 0.00 O ATOM 400 CB ASP A 27 -4.878 -9.544 -6.657 1.00 0.00 C ATOM 401 CG ASP A 27 -6.197 -9.989 -7.288 1.00 0.00 C ATOM 402 OD1 ASP A 27 -7.091 -10.468 -6.556 1.00 0.00 O ATOM 403 OD2 ASP A 27 -6.329 -9.909 -8.528 1.00 0.00 O ATOM 0 H ASP A 27 -6.218 -10.342 -4.736 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.045 -8.603 -4.915 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.326 -8.946 -7.382 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.274 -10.427 -6.446 1.00 0.00 H new ATOM 408 N LEU A 28 -4.933 -6.329 -5.012 1.00 0.00 N ATOM 409 CA LEU A 28 -5.379 -4.933 -5.050 1.00 0.00 C ATOM 410 C LEU A 28 -5.457 -4.395 -6.479 1.00 0.00 C ATOM 411 O LEU A 28 -6.394 -3.675 -6.828 1.00 0.00 O ATOM 412 CB LEU A 28 -4.442 -4.029 -4.219 1.00 0.00 C ATOM 413 CG LEU A 28 -4.475 -4.226 -2.685 1.00 0.00 C ATOM 414 CD1 LEU A 28 -3.820 -5.541 -2.269 1.00 0.00 C ATOM 415 CD2 LEU A 28 -3.807 -3.045 -1.980 1.00 0.00 C ATOM 0 H LEU A 28 -4.085 -6.473 -4.464 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.380 -4.915 -4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.420 -4.190 -4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.690 -2.990 -4.435 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.521 -4.271 -2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.863 -5.642 -1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.349 -6.374 -2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.779 -5.547 -2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.839 -3.200 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.769 -2.967 -2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.336 -2.125 -2.230 1.00 0.00 H new ATOM 427 N TYR A 29 -4.469 -4.746 -7.298 1.00 0.00 N ATOM 428 CA TYR A 29 -4.377 -4.219 -8.661 1.00 0.00 C ATOM 429 C TYR A 29 -5.628 -4.545 -9.480 1.00 0.00 C ATOM 430 O TYR A 29 -5.996 -3.794 -10.382 1.00 0.00 O ATOM 431 CB TYR A 29 -3.111 -4.735 -9.366 1.00 0.00 C ATOM 432 CG TYR A 29 -2.970 -6.246 -9.397 1.00 0.00 C ATOM 433 CD1 TYR A 29 -3.523 -6.999 -10.428 1.00 0.00 C ATOM 434 CD2 TYR A 29 -2.265 -6.917 -8.403 1.00 0.00 C ATOM 435 CE1 TYR A 29 -3.380 -8.372 -10.465 1.00 0.00 C ATOM 436 CE2 TYR A 29 -2.119 -8.289 -8.435 1.00 0.00 C ATOM 437 CZ TYR A 29 -2.677 -9.012 -9.468 1.00 0.00 C ATOM 438 OH TYR A 29 -2.531 -10.383 -9.503 1.00 0.00 O ATOM 0 H TYR A 29 -3.721 -5.392 -7.044 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.309 -3.134 -8.586 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.105 -4.363 -10.390 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.238 -4.313 -8.869 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.073 -6.501 -11.213 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.825 -6.355 -7.593 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.817 -8.941 -11.272 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.570 -8.794 -7.654 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.008 -10.676 -8.728 1.00 0.00 H new ATOM 448 N ALA A 30 -6.296 -5.641 -9.131 1.00 0.00 N ATOM 449 CA ALA A 30 -7.504 -6.069 -9.835 1.00 0.00 C ATOM 450 C ALA A 30 -8.604 -5.015 -9.733 1.00 0.00 C ATOM 451 O ALA A 30 -9.412 -4.853 -10.649 1.00 0.00 O ATOM 452 CB ALA A 30 -7.994 -7.393 -9.273 1.00 0.00 C ATOM 0 H ALA A 30 -6.021 -6.252 -8.362 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.255 -6.197 -10.888 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.894 -7.703 -9.804 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.220 -8.150 -9.398 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.220 -7.277 -8.213 1.00 0.00 H new ATOM 458 N ALA A 31 -8.619 -4.295 -8.614 1.00 0.00 N ATOM 459 CA ALA A 31 -9.609 -3.248 -8.376 1.00 0.00 C ATOM 460 C ALA A 31 -9.358 -2.045 -9.284 1.00 0.00 C ATOM 461 O ALA A 31 -10.229 -1.189 -9.461 1.00 0.00 O ATOM 462 CB ALA A 31 -9.584 -2.829 -6.912 1.00 0.00 C ATOM 0 H ALA A 31 -7.952 -4.419 -7.853 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.596 -3.645 -8.611 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.326 -2.048 -6.744 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.814 -3.689 -6.283 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.594 -2.450 -6.659 1.00 0.00 H new ATOM 468 N GLY A 32 -8.164 -1.995 -9.863 1.00 0.00 N ATOM 469 CA GLY A 32 -7.786 -0.888 -10.724 1.00 0.00 C ATOM 470 C GLY A 32 -6.774 0.019 -10.056 1.00 0.00 C ATOM 471 O GLY A 32 -6.919 1.242 -10.062 1.00 0.00 O ATOM 0 H GLY A 32 -7.444 -2.709 -9.750 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.370 -1.276 -11.654 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.673 -0.312 -10.987 1.00 0.00 H new ATOM 475 N LEU A 33 -5.755 -0.589 -9.450 1.00 0.00 N ATOM 476 CA LEU A 33 -4.699 0.161 -8.780 1.00 0.00 C ATOM 477 C LEU A 33 -3.851 0.906 -9.807 1.00 0.00 C ATOM 478 O LEU A 33 -3.142 0.292 -10.608 1.00 0.00 O ATOM 479 CB LEU A 33 -3.823 -0.777 -7.936 1.00 0.00 C ATOM 480 CG LEU A 33 -2.693 -0.096 -7.141 1.00 0.00 C ATOM 481 CD1 LEU A 33 -3.260 0.906 -6.134 1.00 0.00 C ATOM 482 CD2 LEU A 33 -1.828 -1.140 -6.435 1.00 0.00 C ATOM 0 H LEU A 33 -5.640 -1.602 -9.411 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.159 0.890 -8.113 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.465 -1.312 -7.236 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.380 -1.523 -8.596 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.066 0.451 -7.845 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.442 1.373 -5.586 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.827 1.672 -6.663 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.916 0.388 -5.435 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.035 -0.640 -5.879 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.445 -1.718 -5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.386 -1.807 -7.175 1.00 0.00 H new ATOM 494 N SER A 34 -3.936 2.228 -9.776 1.00 0.00 N ATOM 495 CA SER A 34 -3.206 3.076 -10.707 1.00 0.00 C ATOM 496 C SER A 34 -1.890 3.535 -10.091 1.00 0.00 C ATOM 497 O SER A 34 -1.765 3.628 -8.866 1.00 0.00 O ATOM 498 CB SER A 34 -4.061 4.292 -11.086 1.00 0.00 C ATOM 499 OG SER A 34 -3.327 5.213 -11.874 1.00 0.00 O ATOM 0 H SER A 34 -4.511 2.741 -9.108 1.00 0.00 H new ATOM 0 HA SER A 34 -2.986 2.499 -11.605 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.943 3.962 -11.635 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.416 4.786 -10.181 1.00 0.00 H new ATOM 0 HG SER A 34 -3.902 5.568 -12.584 1.00 0.00 H new ATOM 505 N SER A 35 -0.917 3.825 -10.949 1.00 0.00 N ATOM 506 CA SER A 35 0.377 4.338 -10.514 1.00 0.00 C ATOM 507 C SER A 35 0.201 5.661 -9.766 1.00 0.00 C ATOM 508 O SER A 35 0.962 5.982 -8.849 1.00 0.00 O ATOM 509 CB SER A 35 1.289 4.520 -11.730 1.00 0.00 C ATOM 510 OG SER A 35 0.625 5.237 -12.758 1.00 0.00 O ATOM 0 H SER A 35 -1.002 3.712 -11.959 1.00 0.00 H new ATOM 0 HA SER A 35 0.837 3.623 -9.831 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.193 5.053 -11.435 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.601 3.545 -12.104 1.00 0.00 H new ATOM 0 HG SER A 35 1.227 5.343 -13.524 1.00 0.00 H new ATOM 516 N PHE A 36 -0.823 6.416 -10.159 1.00 0.00 N ATOM 517 CA PHE A 36 -1.156 7.673 -9.496 1.00 0.00 C ATOM 518 C PHE A 36 -1.656 7.406 -8.078 1.00 0.00 C ATOM 519 O PHE A 36 -1.495 8.233 -7.180 1.00 0.00 O ATOM 520 CB PHE A 36 -2.217 8.435 -10.301 1.00 0.00 C ATOM 521 CG PHE A 36 -1.773 8.791 -11.698 1.00 0.00 C ATOM 522 CD1 PHE A 36 -1.995 7.920 -12.757 1.00 0.00 C ATOM 523 CD2 PHE A 36 -1.128 9.993 -11.952 1.00 0.00 C ATOM 524 CE1 PHE A 36 -1.585 8.242 -14.037 1.00 0.00 C ATOM 525 CE2 PHE A 36 -0.716 10.318 -13.230 1.00 0.00 C ATOM 526 CZ PHE A 36 -0.946 9.442 -14.273 1.00 0.00 C ATOM 0 H PHE A 36 -1.438 6.177 -10.937 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.257 8.286 -9.439 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.121 7.829 -10.359 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.479 9.349 -9.768 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.494 6.979 -12.578 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.946 10.683 -11.141 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.764 7.556 -14.851 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.214 11.257 -13.414 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.626 9.696 -15.273 1.00 0.00 H new ATOM 536 N ALA A 37 -2.259 6.238 -7.884 1.00 0.00 N ATOM 537 CA ALA A 37 -2.757 5.837 -6.574 1.00 0.00 C ATOM 538 C ALA A 37 -1.609 5.348 -5.695 1.00 0.00 C ATOM 539 O ALA A 37 -1.552 5.658 -4.503 1.00 0.00 O ATOM 540 CB ALA A 37 -3.826 4.756 -6.715 1.00 0.00 C ATOM 0 H ALA A 37 -2.415 5.550 -8.621 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.211 6.705 -6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.186 4.469 -5.727 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.657 5.141 -7.306 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.399 3.885 -7.213 1.00 0.00 H new ATOM 546 N SER A 38 -0.690 4.597 -6.298 1.00 0.00 N ATOM 547 CA SER A 38 0.437 4.018 -5.572 1.00 0.00 C ATOM 548 C SER A 38 1.417 5.095 -5.106 1.00 0.00 C ATOM 549 O SER A 38 1.940 5.025 -3.989 1.00 0.00 O ATOM 550 CB SER A 38 1.148 2.976 -6.448 1.00 0.00 C ATOM 551 OG SER A 38 1.417 3.488 -7.741 1.00 0.00 O ATOM 0 H SER A 38 -0.705 4.375 -7.293 1.00 0.00 H new ATOM 0 HA SER A 38 0.049 3.524 -4.681 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.081 2.674 -5.973 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.528 2.083 -6.530 1.00 0.00 H new ATOM 0 HG SER A 38 1.241 4.452 -7.754 1.00 0.00 H new ATOM 557 N VAL A 39 1.661 6.095 -5.951 1.00 0.00 N ATOM 558 CA VAL A 39 2.580 7.174 -5.597 1.00 0.00 C ATOM 559 C VAL A 39 2.011 8.010 -4.449 1.00 0.00 C ATOM 560 O VAL A 39 2.712 8.310 -3.484 1.00 0.00 O ATOM 561 CB VAL A 39 2.922 8.086 -6.808 1.00 0.00 C ATOM 562 CG1 VAL A 39 1.673 8.759 -7.377 1.00 0.00 C ATOM 563 CG2 VAL A 39 3.970 9.130 -6.422 1.00 0.00 C ATOM 0 H VAL A 39 1.240 6.180 -6.876 1.00 0.00 H new ATOM 0 HA VAL A 39 3.509 6.704 -5.274 1.00 0.00 H new ATOM 0 HB VAL A 39 3.339 7.451 -7.589 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.952 9.388 -8.222 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.968 7.997 -7.709 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.207 9.372 -6.606 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.194 9.757 -7.285 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.585 9.750 -5.613 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.880 8.628 -6.093 1.00 0.00 H new ATOM 573 N GLN A 40 0.731 8.358 -4.540 1.00 0.00 N ATOM 574 CA GLN A 40 0.069 9.106 -3.475 1.00 0.00 C ATOM 575 C GLN A 40 0.045 8.264 -2.198 1.00 0.00 C ATOM 576 O GLN A 40 0.151 8.786 -1.084 1.00 0.00 O ATOM 577 CB GLN A 40 -1.355 9.497 -3.897 1.00 0.00 C ATOM 578 CG GLN A 40 -2.065 10.418 -2.907 1.00 0.00 C ATOM 579 CD GLN A 40 -1.324 11.728 -2.686 1.00 0.00 C ATOM 580 OE1 GLN A 40 -0.479 11.834 -1.798 1.00 0.00 O ATOM 581 NE2 GLN A 40 -1.627 12.728 -3.497 1.00 0.00 N ATOM 0 H GLN A 40 0.133 8.136 -5.336 1.00 0.00 H new ATOM 0 HA GLN A 40 0.625 10.024 -3.283 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.313 9.989 -4.869 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.947 8.591 -4.024 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.070 10.631 -3.272 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.175 9.903 -1.953 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.334 12.601 -4.221 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.154 13.626 -3.398 1.00 0.00 H new ATOM 590 N LEU A 41 -0.072 6.952 -2.384 1.00 0.00 N ATOM 591 CA LEU A 41 -0.043 5.996 -1.280 1.00 0.00 C ATOM 592 C LEU A 41 1.292 6.081 -0.532 1.00 0.00 C ATOM 593 O LEU A 41 1.310 6.242 0.687 1.00 0.00 O ATOM 594 CB LEU A 41 -0.321 4.565 -1.818 1.00 0.00 C ATOM 595 CG LEU A 41 0.648 3.435 -1.390 1.00 0.00 C ATOM 596 CD1 LEU A 41 0.477 3.070 0.084 1.00 0.00 C ATOM 597 CD2 LEU A 41 0.451 2.202 -2.271 1.00 0.00 C ATOM 0 H LEU A 41 -0.189 6.522 -3.302 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.827 6.242 -0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.327 4.280 -1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.323 4.611 -2.907 1.00 0.00 H new ATOM 0 HG LEU A 41 1.665 3.806 -1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.174 2.274 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.678 3.945 0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.544 2.730 0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.139 1.417 -1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.574 1.846 -2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.648 2.463 -3.311 1.00 0.00 H new ATOM 609 N MET A 42 2.406 5.998 -1.258 1.00 0.00 N ATOM 610 CA MET A 42 3.722 5.987 -0.621 1.00 0.00 C ATOM 611 C MET A 42 4.047 7.355 -0.019 1.00 0.00 C ATOM 612 O MET A 42 4.609 7.437 1.074 1.00 0.00 O ATOM 613 CB MET A 42 4.814 5.540 -1.612 1.00 0.00 C ATOM 614 CG MET A 42 5.003 6.458 -2.814 1.00 0.00 C ATOM 615 SD MET A 42 6.223 5.835 -3.991 1.00 0.00 S ATOM 616 CE MET A 42 7.703 5.801 -2.982 1.00 0.00 C ATOM 0 H MET A 42 2.425 5.938 -2.276 1.00 0.00 H new ATOM 0 HA MET A 42 3.697 5.261 0.192 1.00 0.00 H new ATOM 0 HB2 MET A 42 5.761 5.465 -1.077 1.00 0.00 H new ATOM 0 HB3 MET A 42 4.571 4.540 -1.971 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.047 6.584 -3.322 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.312 7.444 -2.467 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.580 5.734 -3.625 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.758 6.712 -2.387 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.672 4.936 -2.319 1.00 0.00 H new ATOM 626 N LEU A 43 3.664 8.426 -0.715 1.00 0.00 N ATOM 627 CA LEU A 43 3.904 9.786 -0.226 1.00 0.00 C ATOM 628 C LEU A 43 3.171 10.028 1.094 1.00 0.00 C ATOM 629 O LEU A 43 3.747 10.565 2.043 1.00 0.00 O ATOM 630 CB LEU A 43 3.487 10.834 -1.279 1.00 0.00 C ATOM 631 CG LEU A 43 4.600 11.292 -2.244 1.00 0.00 C ATOM 632 CD1 LEU A 43 5.702 12.024 -1.486 1.00 0.00 C ATOM 633 CD2 LEU A 43 5.182 10.113 -3.019 1.00 0.00 C ATOM 0 H LEU A 43 3.188 8.380 -1.616 1.00 0.00 H new ATOM 0 HA LEU A 43 4.974 9.892 -0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.667 10.424 -1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.099 11.710 -0.759 1.00 0.00 H new ATOM 0 HG LEU A 43 4.153 11.980 -2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.477 12.339 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.283 12.900 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.135 11.358 -0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.964 10.469 -3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.605 9.391 -2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.394 9.635 -3.601 1.00 0.00 H new ATOM 645 N GLY A 44 1.905 9.617 1.157 1.00 0.00 N ATOM 646 CA GLY A 44 1.131 9.781 2.375 1.00 0.00 C ATOM 647 C GLY A 44 1.568 8.816 3.463 1.00 0.00 C ATOM 648 O GLY A 44 1.517 9.134 4.652 1.00 0.00 O ATOM 0 H GLY A 44 1.404 9.174 0.387 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.235 10.804 2.735 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.074 9.626 2.156 1.00 0.00 H new ATOM 652 N ILE A 45 1.993 7.626 3.049 1.00 0.00 N ATOM 653 CA ILE A 45 2.469 6.602 3.973 1.00 0.00 C ATOM 654 C ILE A 45 3.794 7.025 4.615 1.00 0.00 C ATOM 655 O ILE A 45 4.096 6.639 5.748 1.00 0.00 O ATOM 656 CB ILE A 45 2.588 5.218 3.259 1.00 0.00 C ATOM 657 CG1 ILE A 45 1.331 4.364 3.522 1.00 0.00 C ATOM 658 CG2 ILE A 45 3.856 4.461 3.659 1.00 0.00 C ATOM 659 CD1 ILE A 45 1.131 3.991 4.976 1.00 0.00 C ATOM 0 H ILE A 45 2.017 7.345 2.069 1.00 0.00 H new ATOM 0 HA ILE A 45 1.736 6.493 4.773 1.00 0.00 H new ATOM 0 HB ILE A 45 2.663 5.413 2.189 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.454 4.910 3.174 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.394 3.452 2.929 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.890 3.506 3.135 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.732 5.052 3.393 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.850 4.285 4.735 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.226 3.391 5.077 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.988 3.416 5.325 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.034 4.897 5.574 1.00 0.00 H new ATOM 671 N GLU A 46 4.558 7.847 3.896 1.00 0.00 N ATOM 672 CA GLU A 46 5.824 8.372 4.399 1.00 0.00 C ATOM 673 C GLU A 46 5.617 9.077 5.742 1.00 0.00 C ATOM 674 O GLU A 46 6.251 8.736 6.739 1.00 0.00 O ATOM 675 CB GLU A 46 6.427 9.346 3.378 1.00 0.00 C ATOM 676 CG GLU A 46 7.744 9.977 3.815 1.00 0.00 C ATOM 677 CD GLU A 46 8.233 11.036 2.839 1.00 0.00 C ATOM 678 OE1 GLU A 46 7.790 12.200 2.949 1.00 0.00 O ATOM 679 OE2 GLU A 46 9.048 10.709 1.951 1.00 0.00 O ATOM 0 H GLU A 46 4.318 8.165 2.957 1.00 0.00 H new ATOM 0 HA GLU A 46 6.513 7.541 4.549 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.585 8.817 2.438 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.706 10.139 3.180 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.619 10.425 4.801 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.501 9.199 3.912 1.00 0.00 H new ATOM 686 N GLU A 47 4.715 10.052 5.768 1.00 0.00 N ATOM 687 CA GLU A 47 4.399 10.770 7.000 1.00 0.00 C ATOM 688 C GLU A 47 3.598 9.884 7.955 1.00 0.00 C ATOM 689 O GLU A 47 3.680 10.038 9.175 1.00 0.00 O ATOM 690 CB GLU A 47 3.635 12.074 6.717 1.00 0.00 C ATOM 691 CG GLU A 47 2.314 11.885 5.978 1.00 0.00 C ATOM 692 CD GLU A 47 1.455 13.139 5.994 1.00 0.00 C ATOM 693 OE1 GLU A 47 1.835 14.138 5.344 1.00 0.00 O ATOM 694 OE2 GLU A 47 0.408 13.143 6.680 1.00 0.00 O ATOM 0 H GLU A 47 4.189 10.364 4.951 1.00 0.00 H new ATOM 0 HA GLU A 47 5.345 11.032 7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.439 12.578 7.663 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.274 12.735 6.131 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.516 11.600 4.946 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.761 11.063 6.433 1.00 0.00 H new ATOM 701 N ALA A 48 2.816 8.965 7.383 1.00 0.00 N ATOM 702 CA ALA A 48 1.896 8.131 8.155 1.00 0.00 C ATOM 703 C ALA A 48 2.590 7.414 9.313 1.00 0.00 C ATOM 704 O ALA A 48 2.097 7.454 10.445 1.00 0.00 O ATOM 705 CB ALA A 48 1.203 7.121 7.248 1.00 0.00 C ATOM 0 H ALA A 48 2.803 8.780 6.380 1.00 0.00 H new ATOM 0 HA ALA A 48 1.150 8.797 8.589 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.522 6.509 7.839 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.641 7.649 6.478 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.950 6.482 6.777 1.00 0.00 H new ATOM 711 N PHE A 49 3.718 6.741 9.052 1.00 0.00 N ATOM 712 CA PHE A 49 4.436 6.065 10.140 1.00 0.00 C ATOM 713 C PHE A 49 5.930 6.400 10.196 1.00 0.00 C ATOM 714 O PHE A 49 6.487 6.477 11.294 1.00 0.00 O ATOM 715 CB PHE A 49 4.218 4.544 10.099 1.00 0.00 C ATOM 716 CG PHE A 49 4.740 3.840 8.868 1.00 0.00 C ATOM 717 CD1 PHE A 49 6.040 3.347 8.825 1.00 0.00 C ATOM 718 CD2 PHE A 49 3.918 3.638 7.771 1.00 0.00 C ATOM 719 CE1 PHE A 49 6.506 2.673 7.711 1.00 0.00 C ATOM 720 CE2 PHE A 49 4.382 2.969 6.656 1.00 0.00 C ATOM 721 CZ PHE A 49 5.676 2.485 6.625 1.00 0.00 C ATOM 0 H PHE A 49 4.142 6.651 8.129 1.00 0.00 H new ATOM 0 HA PHE A 49 4.002 6.456 11.060 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.693 4.104 10.976 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.149 4.346 10.182 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.694 3.492 9.672 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.903 4.008 7.788 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.517 2.295 7.691 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.732 2.824 5.806 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.037 1.961 5.753 1.00 0.00 H new ATOM 731 N ASP A 50 6.585 6.619 9.045 1.00 0.00 N ATOM 732 CA ASP A 50 8.035 6.888 9.051 1.00 0.00 C ATOM 733 C ASP A 50 8.582 7.182 7.644 1.00 0.00 C ATOM 734 O ASP A 50 9.048 8.293 7.377 1.00 0.00 O ATOM 735 CB ASP A 50 8.804 5.706 9.669 1.00 0.00 C ATOM 736 CG ASP A 50 10.216 6.083 10.091 1.00 0.00 C ATOM 737 OD1 ASP A 50 11.111 6.134 9.232 1.00 0.00 O ATOM 738 OD2 ASP A 50 10.444 6.338 11.293 1.00 0.00 O ATOM 0 H ASP A 50 6.151 6.616 8.122 1.00 0.00 H new ATOM 0 HA ASP A 50 8.186 7.780 9.659 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.257 5.335 10.535 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.850 4.890 8.947 1.00 0.00 H new ATOM 743 N ILE A 51 8.537 6.186 6.751 1.00 0.00 N ATOM 744 CA ILE A 51 9.070 6.337 5.385 1.00 0.00 C ATOM 745 C ILE A 51 8.141 5.701 4.358 1.00 0.00 C ATOM 746 O ILE A 51 7.127 5.092 4.711 1.00 0.00 O ATOM 747 CB ILE A 51 10.493 5.714 5.192 1.00 0.00 C ATOM 748 CG1 ILE A 51 10.480 4.169 5.308 1.00 0.00 C ATOM 749 CG2 ILE A 51 11.502 6.320 6.160 1.00 0.00 C ATOM 750 CD1 ILE A 51 10.051 3.623 6.659 1.00 0.00 C ATOM 0 H ILE A 51 8.139 5.267 6.946 1.00 0.00 H new ATOM 0 HA ILE A 51 9.143 7.414 5.233 1.00 0.00 H new ATOM 0 HB ILE A 51 10.804 5.960 4.177 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.813 3.769 4.545 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.479 3.796 5.085 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.479 5.865 5.999 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.569 7.395 5.990 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.180 6.134 7.185 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.076 2.534 6.636 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.731 3.985 7.430 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.038 3.958 6.882 1.00 0.00 H new ATOM 762 N GLU A 52 8.501 5.852 3.087 1.00 0.00 N ATOM 763 CA GLU A 52 7.779 5.223 1.988 1.00 0.00 C ATOM 764 C GLU A 52 8.567 4.039 1.431 1.00 0.00 C ATOM 765 O GLU A 52 9.745 3.851 1.745 1.00 0.00 O ATOM 766 CB GLU A 52 7.439 6.235 0.873 1.00 0.00 C ATOM 767 CG GLU A 52 8.386 7.428 0.752 1.00 0.00 C ATOM 768 CD GLU A 52 9.839 7.044 0.508 1.00 0.00 C ATOM 769 OE1 GLU A 52 10.213 6.801 -0.655 1.00 0.00 O ATOM 770 OE2 GLU A 52 10.620 7.009 1.483 1.00 0.00 O ATOM 0 H GLU A 52 9.300 6.413 2.791 1.00 0.00 H new ATOM 0 HA GLU A 52 6.835 4.851 2.386 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.425 5.707 -0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.430 6.611 1.044 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.048 8.066 -0.065 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.326 8.020 1.665 1.00 0.00 H new ATOM 777 N PHE A 53 7.899 3.250 0.603 1.00 0.00 N ATOM 778 CA PHE A 53 8.446 1.997 0.101 1.00 0.00 C ATOM 779 C PHE A 53 9.631 2.234 -0.843 1.00 0.00 C ATOM 780 O PHE A 53 9.546 3.048 -1.767 1.00 0.00 O ATOM 781 CB PHE A 53 7.343 1.212 -0.610 1.00 0.00 C ATOM 782 CG PHE A 53 6.092 1.080 0.221 1.00 0.00 C ATOM 783 CD1 PHE A 53 6.105 0.367 1.414 1.00 0.00 C ATOM 784 CD2 PHE A 53 4.910 1.685 -0.178 1.00 0.00 C ATOM 785 CE1 PHE A 53 4.965 0.262 2.188 1.00 0.00 C ATOM 786 CE2 PHE A 53 3.767 1.579 0.591 1.00 0.00 C ATOM 787 CZ PHE A 53 3.795 0.869 1.776 1.00 0.00 C ATOM 0 H PHE A 53 6.962 3.460 0.260 1.00 0.00 H new ATOM 0 HA PHE A 53 8.819 1.420 0.947 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.099 1.707 -1.550 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.714 0.218 -0.860 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.017 -0.111 1.740 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.882 2.246 -1.101 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.989 -0.294 3.114 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.852 2.051 0.266 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.903 0.789 2.379 1.00 0.00 H new ATOM 797 N PRO A 54 10.758 1.529 -0.611 1.00 0.00 N ATOM 798 CA PRO A 54 11.962 1.647 -1.440 1.00 0.00 C ATOM 799 C PRO A 54 11.861 0.842 -2.739 1.00 0.00 C ATOM 800 O PRO A 54 11.094 -0.125 -2.831 1.00 0.00 O ATOM 801 CB PRO A 54 13.050 1.082 -0.526 1.00 0.00 C ATOM 802 CG PRO A 54 12.347 0.035 0.265 1.00 0.00 C ATOM 803 CD PRO A 54 10.952 0.568 0.496 1.00 0.00 C ATOM 0 HA PRO A 54 12.146 2.669 -1.770 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.875 0.661 -1.100 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.471 1.854 0.118 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.320 -0.912 -0.274 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.857 -0.151 1.210 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.209 -0.229 0.470 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.864 1.053 1.468 1.00 0.00 H new ATOM 811 N ASP A 55 12.664 1.236 -3.728 1.00 0.00 N ATOM 812 CA ASP A 55 12.617 0.650 -5.072 1.00 0.00 C ATOM 813 C ASP A 55 12.785 -0.868 -5.042 1.00 0.00 C ATOM 814 O ASP A 55 12.183 -1.582 -5.850 1.00 0.00 O ATOM 815 CB ASP A 55 13.704 1.269 -5.961 1.00 0.00 C ATOM 816 CG ASP A 55 13.567 2.777 -6.085 1.00 0.00 C ATOM 817 OD1 ASP A 55 14.117 3.498 -5.226 1.00 0.00 O ATOM 818 OD2 ASP A 55 12.913 3.247 -7.040 1.00 0.00 O ATOM 0 H ASP A 55 13.365 1.969 -3.622 1.00 0.00 H new ATOM 0 HA ASP A 55 11.633 0.871 -5.485 1.00 0.00 H new ATOM 0 HB2 ASP A 55 14.685 1.029 -5.550 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.656 0.820 -6.953 1.00 0.00 H new ATOM 823 N ASN A 56 13.586 -1.357 -4.097 1.00 0.00 N ATOM 824 CA ASN A 56 13.910 -2.786 -4.010 1.00 0.00 C ATOM 825 C ASN A 56 12.661 -3.662 -3.890 1.00 0.00 C ATOM 826 O ASN A 56 12.699 -4.842 -4.244 1.00 0.00 O ATOM 827 CB ASN A 56 14.855 -3.068 -2.826 1.00 0.00 C ATOM 828 CG ASN A 56 16.276 -2.580 -3.070 1.00 0.00 C ATOM 829 OD1 ASN A 56 16.733 -2.499 -4.210 1.00 0.00 O ATOM 830 ND2 ASN A 56 16.998 -2.281 -1.998 1.00 0.00 N ATOM 0 H ASN A 56 14.026 -0.785 -3.376 1.00 0.00 H new ATOM 0 HA ASN A 56 14.412 -3.044 -4.943 1.00 0.00 H new ATOM 0 HB2 ASN A 56 14.460 -2.587 -1.931 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.873 -4.140 -2.630 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.964 -1.972 -2.104 1.00 0.00 H new ATOM 0 HD22 ASN A 56 16.587 -2.360 -1.068 1.00 0.00 H new ATOM 837 N LEU A 57 11.553 -3.100 -3.402 1.00 0.00 N ATOM 838 CA LEU A 57 10.338 -3.894 -3.201 1.00 0.00 C ATOM 839 C LEU A 57 9.146 -3.346 -3.989 1.00 0.00 C ATOM 840 O LEU A 57 8.068 -3.937 -3.960 1.00 0.00 O ATOM 841 CB LEU A 57 10.003 -4.005 -1.696 1.00 0.00 C ATOM 842 CG LEU A 57 9.727 -2.685 -0.939 1.00 0.00 C ATOM 843 CD1 LEU A 57 8.327 -2.150 -1.234 1.00 0.00 C ATOM 844 CD2 LEU A 57 9.910 -2.879 0.565 1.00 0.00 C ATOM 0 H LEU A 57 11.471 -2.117 -3.143 1.00 0.00 H new ATOM 0 HA LEU A 57 10.539 -4.893 -3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.127 -4.646 -1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.831 -4.513 -1.201 1.00 0.00 H new ATOM 0 HG LEU A 57 10.449 -1.949 -1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.169 -1.222 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.228 -1.961 -2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.584 -2.885 -0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.711 -1.939 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.217 -3.641 0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.933 -3.195 0.769 1.00 0.00 H new ATOM 856 N LEU A 58 9.335 -2.229 -4.693 1.00 0.00 N ATOM 857 CA LEU A 58 8.238 -1.607 -5.441 1.00 0.00 C ATOM 858 C LEU A 58 7.714 -2.543 -6.533 1.00 0.00 C ATOM 859 O LEU A 58 6.538 -2.908 -6.537 1.00 0.00 O ATOM 860 CB LEU A 58 8.670 -0.264 -6.054 1.00 0.00 C ATOM 861 CG LEU A 58 8.946 0.865 -5.046 1.00 0.00 C ATOM 862 CD1 LEU A 58 9.357 2.147 -5.767 1.00 0.00 C ATOM 863 CD2 LEU A 58 7.723 1.113 -4.167 1.00 0.00 C ATOM 0 H LEU A 58 10.227 -1.739 -4.762 1.00 0.00 H new ATOM 0 HA LEU A 58 7.431 -1.416 -4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.571 -0.427 -6.646 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.893 0.069 -6.742 1.00 0.00 H new ATOM 0 HG LEU A 58 9.772 0.554 -4.406 1.00 0.00 H new ATOM 0 HD11 LEU A 58 9.547 2.931 -5.034 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.262 1.964 -6.346 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.556 2.461 -6.436 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.939 1.915 -3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.877 1.398 -4.793 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.478 0.203 -3.619 1.00 0.00 H new ATOM 875 N ASN A 59 8.595 -2.944 -7.445 1.00 0.00 N ATOM 876 CA ASN A 59 8.217 -3.838 -8.540 1.00 0.00 C ATOM 877 C ASN A 59 8.205 -5.287 -8.060 1.00 0.00 C ATOM 878 O ASN A 59 9.072 -6.083 -8.430 1.00 0.00 O ATOM 879 CB ASN A 59 9.179 -3.677 -9.731 1.00 0.00 C ATOM 880 CG ASN A 59 9.143 -2.283 -10.334 1.00 0.00 C ATOM 881 OD1 ASN A 59 9.853 -1.381 -9.885 1.00 0.00 O ATOM 882 ND2 ASN A 59 8.333 -2.095 -11.365 1.00 0.00 N ATOM 0 H ASN A 59 9.576 -2.665 -7.449 1.00 0.00 H new ATOM 0 HA ASN A 59 7.214 -3.570 -8.871 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.195 -3.900 -9.404 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.924 -4.407 -10.499 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.283 -1.180 -11.814 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.760 -2.865 -11.710 1.00 0.00 H new ATOM 889 N ARG A 60 7.240 -5.611 -7.201 1.00 0.00 N ATOM 890 CA ARG A 60 7.097 -6.957 -6.644 1.00 0.00 C ATOM 891 C ARG A 60 5.629 -7.255 -6.339 1.00 0.00 C ATOM 892 O ARG A 60 4.745 -6.447 -6.628 1.00 0.00 O ATOM 893 CB ARG A 60 7.925 -7.111 -5.352 1.00 0.00 C ATOM 894 CG ARG A 60 9.438 -7.133 -5.562 1.00 0.00 C ATOM 895 CD ARG A 60 10.179 -7.446 -4.268 1.00 0.00 C ATOM 896 NE ARG A 60 11.630 -7.464 -4.456 1.00 0.00 N ATOM 897 CZ ARG A 60 12.469 -8.212 -3.735 1.00 0.00 C ATOM 898 NH1 ARG A 60 12.003 -9.056 -2.822 1.00 0.00 N ATOM 899 NH2 ARG A 60 13.773 -8.136 -3.956 1.00 0.00 N ATOM 0 H ARG A 60 6.536 -4.950 -6.872 1.00 0.00 H new ATOM 0 HA ARG A 60 7.466 -7.664 -7.387 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.677 -6.291 -4.678 1.00 0.00 H new ATOM 0 HB3 ARG A 60 7.628 -8.034 -4.854 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.691 -7.878 -6.316 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.767 -6.167 -5.946 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.921 -6.703 -3.514 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.851 -8.413 -3.888 1.00 0.00 H new ATOM 0 HE ARG A 60 12.025 -6.868 -5.183 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.998 -9.136 -2.668 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.650 -9.624 -2.275 1.00 0.00 H new ATOM 0 HH21 ARG A 60 14.133 -7.508 -4.675 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.417 -8.706 -3.407 1.00 0.00 H new ATOM 913 N LYS A 61 5.386 -8.419 -5.737 1.00 0.00 N ATOM 914 CA LYS A 61 4.046 -8.821 -5.299 1.00 0.00 C ATOM 915 C LYS A 61 3.587 -7.979 -4.106 1.00 0.00 C ATOM 916 O LYS A 61 2.451 -8.105 -3.654 1.00 0.00 O ATOM 917 CB LYS A 61 4.023 -10.308 -4.914 1.00 0.00 C ATOM 918 CG LYS A 61 4.916 -10.649 -3.721 1.00 0.00 C ATOM 919 CD LYS A 61 4.725 -12.090 -3.258 1.00 0.00 C ATOM 920 CE LYS A 61 3.309 -12.336 -2.747 1.00 0.00 C ATOM 921 NZ LYS A 61 3.129 -13.726 -2.257 1.00 0.00 N ATOM 0 H LYS A 61 6.110 -9.110 -5.539 1.00 0.00 H new ATOM 0 HA LYS A 61 3.363 -8.657 -6.133 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.998 -10.599 -4.684 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.337 -10.901 -5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.960 -10.491 -3.992 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.695 -9.971 -2.897 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.937 -12.769 -4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.441 -12.316 -2.468 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.087 -11.636 -1.941 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.595 -12.138 -3.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.154 -13.851 -1.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.315 -14.394 -3.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.792 -13.908 -1.477 1.00 0.00 H new ATOM 935 N SER A 62 4.498 -7.155 -3.592 1.00 0.00 N ATOM 936 CA SER A 62 4.265 -6.328 -2.409 1.00 0.00 C ATOM 937 C SER A 62 2.859 -5.711 -2.393 1.00 0.00 C ATOM 938 O SER A 62 2.050 -6.012 -1.514 1.00 0.00 O ATOM 939 CB SER A 62 5.325 -5.222 -2.366 1.00 0.00 C ATOM 940 OG SER A 62 5.357 -4.512 -3.595 1.00 0.00 O ATOM 0 H SER A 62 5.430 -7.041 -3.990 1.00 0.00 H new ATOM 0 HA SER A 62 4.339 -6.966 -1.528 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.108 -4.535 -1.548 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.304 -5.657 -2.166 1.00 0.00 H new ATOM 0 HG SER A 62 6.282 -4.265 -3.806 1.00 0.00 H new ATOM 946 N PHE A 63 2.573 -4.863 -3.377 1.00 0.00 N ATOM 947 CA PHE A 63 1.288 -4.159 -3.449 1.00 0.00 C ATOM 948 C PHE A 63 0.140 -5.109 -3.800 1.00 0.00 C ATOM 949 O PHE A 63 -1.030 -4.732 -3.736 1.00 0.00 O ATOM 950 CB PHE A 63 1.364 -3.022 -4.474 1.00 0.00 C ATOM 951 CG PHE A 63 2.421 -1.995 -4.149 1.00 0.00 C ATOM 952 CD1 PHE A 63 2.215 -1.065 -3.139 1.00 0.00 C ATOM 953 CD2 PHE A 63 3.621 -1.961 -4.847 1.00 0.00 C ATOM 954 CE1 PHE A 63 3.182 -0.126 -2.834 1.00 0.00 C ATOM 955 CE2 PHE A 63 4.589 -1.024 -4.545 1.00 0.00 C ATOM 956 CZ PHE A 63 4.369 -0.104 -3.538 1.00 0.00 C ATOM 0 H PHE A 63 3.214 -4.644 -4.140 1.00 0.00 H new ATOM 0 HA PHE A 63 1.084 -3.742 -2.463 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.567 -3.443 -5.459 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.394 -2.529 -4.532 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.288 -1.075 -2.585 1.00 0.00 H new ATOM 0 HD2 PHE A 63 3.799 -2.677 -5.636 1.00 0.00 H new ATOM 0 HE1 PHE A 63 3.009 0.591 -2.045 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.518 -1.010 -5.096 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.124 0.631 -3.302 1.00 0.00 H new ATOM 966 N ALA A 64 0.482 -6.335 -4.182 1.00 0.00 N ATOM 967 CA ALA A 64 -0.513 -7.354 -4.513 1.00 0.00 C ATOM 968 C ALA A 64 -0.820 -8.234 -3.303 1.00 0.00 C ATOM 969 O ALA A 64 -1.790 -8.994 -3.305 1.00 0.00 O ATOM 970 CB ALA A 64 -0.022 -8.209 -5.677 1.00 0.00 C ATOM 0 H ALA A 64 1.448 -6.651 -4.271 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.433 -6.849 -4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.771 -8.964 -5.915 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.144 -7.576 -6.549 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.912 -8.698 -5.400 1.00 0.00 H new ATOM 976 N SER A 65 0.019 -8.136 -2.276 1.00 0.00 N ATOM 977 CA SER A 65 -0.139 -8.931 -1.061 1.00 0.00 C ATOM 978 C SER A 65 0.339 -8.141 0.158 1.00 0.00 C ATOM 979 O SER A 65 1.540 -8.075 0.438 1.00 0.00 O ATOM 980 CB SER A 65 0.642 -10.245 -1.187 1.00 0.00 C ATOM 981 OG SER A 65 0.195 -11.002 -2.301 1.00 0.00 O ATOM 0 H SER A 65 0.823 -7.508 -2.261 1.00 0.00 H new ATOM 0 HA SER A 65 -1.196 -9.163 -0.928 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.705 -10.030 -1.293 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.524 -10.830 -0.275 1.00 0.00 H new ATOM 0 HG SER A 65 0.593 -11.897 -2.269 1.00 0.00 H new ATOM 987 N ILE A 66 -0.609 -7.551 0.882 1.00 0.00 N ATOM 988 CA ILE A 66 -0.291 -6.679 2.013 1.00 0.00 C ATOM 989 C ILE A 66 0.512 -7.422 3.080 1.00 0.00 C ATOM 990 O ILE A 66 1.487 -6.890 3.613 1.00 0.00 O ATOM 991 CB ILE A 66 -1.573 -6.082 2.646 1.00 0.00 C ATOM 992 CG1 ILE A 66 -2.363 -5.272 1.598 1.00 0.00 C ATOM 993 CG2 ILE A 66 -1.229 -5.211 3.856 1.00 0.00 C ATOM 994 CD1 ILE A 66 -1.585 -4.121 0.992 1.00 0.00 C ATOM 0 H ILE A 66 -1.608 -7.661 0.706 1.00 0.00 H new ATOM 0 HA ILE A 66 0.317 -5.863 1.622 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.199 -6.905 2.991 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.680 -5.943 0.799 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.268 -4.880 2.063 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.145 -4.803 4.283 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.717 -5.815 4.605 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.579 -4.394 3.543 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.210 -3.602 0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.291 -3.427 1.779 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.694 -4.506 0.495 1.00 0.00 H new ATOM 1006 N LYS A 67 0.112 -8.657 3.374 1.00 0.00 N ATOM 1007 CA LYS A 67 0.803 -9.472 4.378 1.00 0.00 C ATOM 1008 C LYS A 67 2.286 -9.649 4.030 1.00 0.00 C ATOM 1009 O LYS A 67 3.116 -9.871 4.913 1.00 0.00 O ATOM 1010 CB LYS A 67 0.138 -10.848 4.562 1.00 0.00 C ATOM 1011 CG LYS A 67 0.194 -11.766 3.341 1.00 0.00 C ATOM 1012 CD LYS A 67 -0.937 -11.490 2.355 1.00 0.00 C ATOM 1013 CE LYS A 67 -0.945 -12.495 1.209 1.00 0.00 C ATOM 1014 NZ LYS A 67 -1.003 -13.903 1.695 1.00 0.00 N ATOM 0 H LYS A 67 -0.685 -9.117 2.934 1.00 0.00 H new ATOM 0 HA LYS A 67 0.727 -8.932 5.322 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.615 -11.355 5.400 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.906 -10.696 4.835 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.152 -11.638 2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.142 -12.805 3.668 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.893 -11.527 2.878 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.832 -10.482 1.954 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.801 -12.300 0.563 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.050 -12.359 0.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.584 -14.471 1.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.041 -14.297 1.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.424 -13.925 2.646 1.00 0.00 H new ATOM 1028 N ALA A 68 2.610 -9.575 2.743 1.00 0.00 N ATOM 1029 CA ALA A 68 3.989 -9.716 2.290 1.00 0.00 C ATOM 1030 C ALA A 68 4.754 -8.399 2.457 1.00 0.00 C ATOM 1031 O ALA A 68 5.818 -8.364 3.076 1.00 0.00 O ATOM 1032 CB ALA A 68 4.026 -10.179 0.837 1.00 0.00 C ATOM 0 H ALA A 68 1.935 -9.418 1.995 1.00 0.00 H new ATOM 0 HA ALA A 68 4.477 -10.471 2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.062 -10.280 0.513 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.523 -11.142 0.749 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.519 -9.447 0.209 1.00 0.00 H new ATOM 1038 N ILE A 69 4.186 -7.314 1.925 1.00 0.00 N ATOM 1039 CA ILE A 69 4.852 -6.009 1.937 1.00 0.00 C ATOM 1040 C ILE A 69 5.065 -5.501 3.365 1.00 0.00 C ATOM 1041 O ILE A 69 6.063 -4.835 3.654 1.00 0.00 O ATOM 1042 CB ILE A 69 4.061 -4.953 1.113 1.00 0.00 C ATOM 1043 CG1 ILE A 69 4.854 -3.637 1.005 1.00 0.00 C ATOM 1044 CG2 ILE A 69 2.683 -4.699 1.722 1.00 0.00 C ATOM 1045 CD1 ILE A 69 4.185 -2.586 0.141 1.00 0.00 C ATOM 0 H ILE A 69 3.268 -7.313 1.481 1.00 0.00 H new ATOM 0 HA ILE A 69 5.826 -6.151 1.470 1.00 0.00 H new ATOM 0 HB ILE A 69 3.919 -5.353 0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.002 -3.230 2.005 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.842 -3.852 0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.153 -3.957 1.125 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.114 -5.628 1.734 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.798 -4.330 2.741 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.804 -1.689 0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.061 -2.972 -0.871 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.208 -2.340 0.558 1.00 0.00 H new ATOM 1057 N GLU A 70 4.136 -5.838 4.259 1.00 0.00 N ATOM 1058 CA GLU A 70 4.210 -5.389 5.646 1.00 0.00 C ATOM 1059 C GLU A 70 5.457 -5.942 6.328 1.00 0.00 C ATOM 1060 O GLU A 70 6.005 -5.317 7.232 1.00 0.00 O ATOM 1061 CB GLU A 70 2.931 -5.765 6.418 1.00 0.00 C ATOM 1062 CG GLU A 70 2.660 -7.267 6.563 1.00 0.00 C ATOM 1063 CD GLU A 70 3.314 -7.896 7.789 1.00 0.00 C ATOM 1064 OE1 GLU A 70 3.006 -7.466 8.918 1.00 0.00 O ATOM 1065 OE2 GLU A 70 4.129 -8.831 7.635 1.00 0.00 O ATOM 0 H GLU A 70 3.325 -6.419 4.047 1.00 0.00 H new ATOM 0 HA GLU A 70 4.285 -4.302 5.648 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.988 -5.327 7.414 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.078 -5.307 5.917 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.583 -7.429 6.614 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.017 -7.779 5.670 1.00 0.00 H new ATOM 1072 N ASP A 71 5.901 -7.112 5.884 1.00 0.00 N ATOM 1073 CA ASP A 71 7.086 -7.749 6.450 1.00 0.00 C ATOM 1074 C ASP A 71 8.356 -7.049 5.977 1.00 0.00 C ATOM 1075 O ASP A 71 9.207 -6.663 6.785 1.00 0.00 O ATOM 1076 CB ASP A 71 7.133 -9.228 6.054 1.00 0.00 C ATOM 1077 CG ASP A 71 8.282 -9.972 6.716 1.00 0.00 C ATOM 1078 OD1 ASP A 71 8.113 -10.435 7.864 1.00 0.00 O ATOM 1079 OD2 ASP A 71 9.358 -10.101 6.099 1.00 0.00 O ATOM 0 H ASP A 71 5.458 -7.640 5.132 1.00 0.00 H new ATOM 0 HA ASP A 71 7.028 -7.669 7.536 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.191 -9.704 6.327 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.229 -9.308 4.971 1.00 0.00 H new ATOM 1084 N THR A 72 8.466 -6.875 4.666 1.00 0.00 N ATOM 1085 CA THR A 72 9.665 -6.315 4.054 1.00 0.00 C ATOM 1086 C THR A 72 9.950 -4.897 4.563 1.00 0.00 C ATOM 1087 O THR A 72 11.106 -4.529 4.783 1.00 0.00 O ATOM 1088 CB THR A 72 9.537 -6.302 2.514 1.00 0.00 C ATOM 1089 OG1 THR A 72 9.039 -7.568 2.061 1.00 0.00 O ATOM 1090 CG2 THR A 72 10.882 -6.023 1.849 1.00 0.00 C ATOM 0 H THR A 72 7.732 -7.116 4.000 1.00 0.00 H new ATOM 0 HA THR A 72 10.501 -6.953 4.339 1.00 0.00 H new ATOM 0 HB THR A 72 8.844 -5.506 2.239 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.957 -7.557 1.084 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.759 -6.020 0.766 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.254 -5.051 2.174 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.595 -6.798 2.131 1.00 0.00 H new ATOM 1098 N VAL A 73 8.896 -4.108 4.767 1.00 0.00 N ATOM 1099 CA VAL A 73 9.056 -2.726 5.222 1.00 0.00 C ATOM 1100 C VAL A 73 9.638 -2.676 6.642 1.00 0.00 C ATOM 1101 O VAL A 73 10.360 -1.742 6.992 1.00 0.00 O ATOM 1102 CB VAL A 73 7.718 -1.937 5.162 1.00 0.00 C ATOM 1103 CG1 VAL A 73 6.669 -2.551 6.085 1.00 0.00 C ATOM 1104 CG2 VAL A 73 7.938 -0.458 5.489 1.00 0.00 C ATOM 0 H VAL A 73 7.928 -4.398 4.626 1.00 0.00 H new ATOM 0 HA VAL A 73 9.757 -2.247 4.539 1.00 0.00 H new ATOM 0 HB VAL A 73 7.340 -2.004 4.142 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.745 -1.976 6.020 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.477 -3.581 5.784 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.034 -2.535 7.112 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.986 0.071 5.440 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.353 -0.365 6.492 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.631 -0.025 4.768 1.00 0.00 H new ATOM 1114 N LYS A 74 9.348 -3.702 7.446 1.00 0.00 N ATOM 1115 CA LYS A 74 9.852 -3.770 8.822 1.00 0.00 C ATOM 1116 C LYS A 74 11.376 -3.830 8.836 1.00 0.00 C ATOM 1117 O LYS A 74 12.021 -3.300 9.744 1.00 0.00 O ATOM 1118 CB LYS A 74 9.278 -4.993 9.550 1.00 0.00 C ATOM 1119 CG LYS A 74 7.758 -4.983 9.652 1.00 0.00 C ATOM 1120 CD LYS A 74 7.216 -6.266 10.274 1.00 0.00 C ATOM 1121 CE LYS A 74 5.696 -6.319 10.207 1.00 0.00 C ATOM 1122 NZ LYS A 74 5.156 -7.570 10.799 1.00 0.00 N ATOM 0 H LYS A 74 8.769 -4.495 7.170 1.00 0.00 H new ATOM 0 HA LYS A 74 9.530 -2.867 9.341 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.593 -5.897 9.029 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.701 -5.040 10.553 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.441 -4.129 10.250 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.329 -4.853 8.658 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.635 -7.128 9.755 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.538 -6.332 11.313 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.280 -5.460 10.733 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.376 -6.242 9.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.276 -7.833 10.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.853 -8.334 10.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.960 -7.420 11.809 1.00 0.00 H new ATOM 1136 N LEU A 75 11.943 -4.468 7.814 1.00 0.00 N ATOM 1137 CA LEU A 75 13.392 -4.598 7.686 1.00 0.00 C ATOM 1138 C LEU A 75 14.048 -3.217 7.613 1.00 0.00 C ATOM 1139 O LEU A 75 15.184 -3.030 8.058 1.00 0.00 O ATOM 1140 CB LEU A 75 13.742 -5.427 6.443 1.00 0.00 C ATOM 1141 CG LEU A 75 13.158 -6.850 6.421 1.00 0.00 C ATOM 1142 CD1 LEU A 75 13.497 -7.555 5.110 1.00 0.00 C ATOM 1143 CD2 LEU A 75 13.658 -7.660 7.617 1.00 0.00 C ATOM 0 H LEU A 75 11.416 -4.906 7.058 1.00 0.00 H new ATOM 0 HA LEU A 75 13.776 -5.114 8.566 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.392 -4.894 5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.827 -5.495 6.365 1.00 0.00 H new ATOM 0 HG LEU A 75 12.073 -6.772 6.493 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.074 -8.559 5.117 1.00 0.00 H new ATOM 0 HD12 LEU A 75 13.080 -6.991 4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.580 -7.618 5.000 1.00 0.00 H new ATOM 0 HD21 LEU A 75 13.232 -8.663 7.581 1.00 0.00 H new ATOM 0 HD22 LEU A 75 14.745 -7.726 7.583 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.353 -7.170 8.542 1.00 0.00 H new ATOM 1155 N ILE A 76 13.317 -2.254 7.057 1.00 0.00 N ATOM 1156 CA ILE A 76 13.789 -0.877 6.971 1.00 0.00 C ATOM 1157 C ILE A 76 13.901 -0.280 8.373 1.00 0.00 C ATOM 1158 O ILE A 76 14.954 0.220 8.766 1.00 0.00 O ATOM 1159 CB ILE A 76 12.832 -0.001 6.125 1.00 0.00 C ATOM 1160 CG1 ILE A 76 12.604 -0.629 4.740 1.00 0.00 C ATOM 1161 CG2 ILE A 76 13.377 1.423 5.993 1.00 0.00 C ATOM 1162 CD1 ILE A 76 11.577 0.106 3.903 1.00 0.00 C ATOM 0 H ILE A 76 12.391 -2.405 6.658 1.00 0.00 H new ATOM 0 HA ILE A 76 14.766 -0.890 6.487 1.00 0.00 H new ATOM 0 HB ILE A 76 11.871 0.050 6.638 1.00 0.00 H new ATOM 0 HG12 ILE A 76 13.551 -0.652 4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 76 12.284 -1.663 4.867 1.00 0.00 H new ATOM 0 HG21 ILE A 76 12.690 2.022 5.395 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.478 1.867 6.983 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.352 1.396 5.506 1.00 0.00 H new ATOM 0 HD11 ILE A 76 11.468 -0.393 2.940 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.618 0.107 4.422 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.905 1.133 3.744 1.00 0.00 H new ATOM 1174 N LEU A 77 12.805 -0.369 9.127 1.00 0.00 N ATOM 1175 CA LEU A 77 12.744 0.171 10.488 1.00 0.00 C ATOM 1176 C LEU A 77 13.747 -0.539 11.396 1.00 0.00 C ATOM 1177 O LEU A 77 14.257 0.047 12.353 1.00 0.00 O ATOM 1178 CB LEU A 77 11.320 0.044 11.069 1.00 0.00 C ATOM 1179 CG LEU A 77 10.256 0.988 10.470 1.00 0.00 C ATOM 1180 CD1 LEU A 77 10.690 2.446 10.598 1.00 0.00 C ATOM 1181 CD2 LEU A 77 9.955 0.634 9.013 1.00 0.00 C ATOM 0 H LEU A 77 11.941 -0.813 8.816 1.00 0.00 H new ATOM 0 HA LEU A 77 13.004 1.229 10.439 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.984 -0.984 10.931 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.371 0.222 12.143 1.00 0.00 H new ATOM 0 HG LEU A 77 9.336 0.855 11.039 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.924 3.093 10.169 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.826 2.694 11.651 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.630 2.594 10.066 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.202 1.317 8.621 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.867 0.720 8.422 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.582 -0.388 8.957 1.00 0.00 H new ATOM 1193 N ASP A 78 14.022 -1.802 11.081 1.00 0.00 N ATOM 1194 CA ASP A 78 14.969 -2.612 11.848 1.00 0.00 C ATOM 1195 C ASP A 78 16.384 -2.040 11.762 1.00 0.00 C ATOM 1196 O ASP A 78 17.189 -2.211 12.683 1.00 0.00 O ATOM 1197 CB ASP A 78 14.955 -4.066 11.349 1.00 0.00 C ATOM 1198 CG ASP A 78 16.003 -4.938 12.032 1.00 0.00 C ATOM 1199 OD1 ASP A 78 15.873 -5.191 13.250 1.00 0.00 O ATOM 1200 OD2 ASP A 78 16.955 -5.387 11.352 1.00 0.00 O ATOM 0 H ASP A 78 13.599 -2.292 10.293 1.00 0.00 H new ATOM 0 HA ASP A 78 14.658 -2.591 12.893 1.00 0.00 H new ATOM 0 HB2 ASP A 78 13.967 -4.494 11.519 1.00 0.00 H new ATOM 0 HB3 ASP A 78 15.126 -4.077 10.273 1.00 0.00 H new ATOM 1205 N GLY A 79 16.681 -1.349 10.666 1.00 0.00 N ATOM 1206 CA GLY A 79 18.010 -0.796 10.477 1.00 0.00 C ATOM 1207 C GLY A 79 18.020 0.396 9.544 1.00 0.00 C ATOM 1208 O GLY A 79 18.642 0.355 8.480 1.00 0.00 O ATOM 0 H GLY A 79 16.026 -1.162 9.906 1.00 0.00 H new ATOM 0 HA2 GLY A 79 18.416 -0.499 11.444 1.00 0.00 H new ATOM 0 HA3 GLY A 79 18.667 -1.569 10.079 1.00 0.00 H new ATOM 1212 N LYS A 80 17.323 1.460 9.935 1.00 0.00 N ATOM 1213 CA LYS A 80 17.296 2.686 9.144 1.00 0.00 C ATOM 1214 C LYS A 80 18.681 3.320 9.090 1.00 0.00 C ATOM 1215 O LYS A 80 19.347 3.299 8.055 1.00 0.00 O ATOM 1216 CB LYS A 80 16.302 3.699 9.716 1.00 0.00 C ATOM 1217 CG LYS A 80 14.849 3.256 9.641 1.00 0.00 C ATOM 1218 CD LYS A 80 13.919 4.457 9.637 1.00 0.00 C ATOM 1219 CE LYS A 80 14.071 5.305 10.899 1.00 0.00 C ATOM 1220 NZ LYS A 80 13.267 6.553 10.838 1.00 0.00 N ATOM 0 H LYS A 80 16.771 1.498 10.792 1.00 0.00 H new ATOM 0 HA LYS A 80 16.979 2.414 8.137 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.558 3.894 10.758 1.00 0.00 H new ATOM 0 HB3 LYS A 80 16.411 4.641 9.179 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.690 2.664 8.739 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.616 2.613 10.489 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.125 5.072 8.761 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.887 4.116 9.552 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.765 4.720 11.766 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.122 5.558 11.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.903 7.375 10.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.679 6.546 9.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.655 6.613 11.677 1.00 0.00 H new ATOM 1234 N GLU A 81 19.099 3.878 10.230 1.00 0.00 N ATOM 1235 CA GLU A 81 20.361 4.615 10.340 1.00 0.00 C ATOM 1236 C GLU A 81 20.369 5.811 9.381 1.00 0.00 C ATOM 1237 O GLU A 81 21.411 6.404 9.099 1.00 0.00 O ATOM 1238 CB GLU A 81 21.555 3.678 10.086 1.00 0.00 C ATOM 1239 CG GLU A 81 22.899 4.258 10.516 1.00 0.00 C ATOM 1240 CD GLU A 81 24.040 3.271 10.360 1.00 0.00 C ATOM 1241 OE1 GLU A 81 24.642 3.220 9.270 1.00 0.00 O ATOM 1242 OE2 GLU A 81 24.334 2.536 11.329 1.00 0.00 O ATOM 0 H GLU A 81 18.572 3.831 11.102 1.00 0.00 H new ATOM 0 HA GLU A 81 20.455 5.003 11.354 1.00 0.00 H new ATOM 0 HB2 GLU A 81 21.388 2.741 10.617 1.00 0.00 H new ATOM 0 HB3 GLU A 81 21.597 3.439 9.023 1.00 0.00 H new ATOM 0 HG2 GLU A 81 23.111 5.149 9.925 1.00 0.00 H new ATOM 0 HG3 GLU A 81 22.837 4.574 11.557 1.00 0.00 H new ATOM 1249 N ALA A 82 19.182 6.173 8.906 1.00 0.00 N ATOM 1250 CA ALA A 82 19.016 7.318 8.028 1.00 0.00 C ATOM 1251 C ALA A 82 18.878 8.587 8.864 1.00 0.00 C ATOM 1252 O ALA A 82 17.837 8.825 9.483 1.00 0.00 O ATOM 1253 CB ALA A 82 17.801 7.124 7.127 1.00 0.00 C ATOM 0 H ALA A 82 18.314 5.682 9.119 1.00 0.00 H new ATOM 0 HA ALA A 82 19.894 7.413 7.390 1.00 0.00 H new ATOM 0 HB1 ALA A 82 17.690 7.990 6.475 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.937 6.228 6.521 1.00 0.00 H new ATOM 0 HB3 ALA A 82 16.907 7.015 7.741 1.00 0.00 H new ATOM 1259 N ALA A 83 19.947 9.366 8.921 1.00 0.00 N ATOM 1260 CA ALA A 83 19.971 10.601 9.693 1.00 0.00 C ATOM 1261 C ALA A 83 20.768 11.674 8.953 1.00 0.00 C ATOM 1262 O ALA A 83 21.999 11.519 8.823 1.00 0.00 O ATOM 1263 CB ALA A 83 20.556 10.346 11.079 1.00 0.00 C ATOM 1264 OXT ALA A 83 20.159 12.669 8.504 1.00 0.00 O ATOM 0 H ALA A 83 20.820 9.162 8.435 1.00 0.00 H new ATOM 0 HA ALA A 83 18.949 10.960 9.815 1.00 0.00 H new ATOM 0 HB1 ALA A 83 20.568 11.277 11.646 1.00 0.00 H new ATOM 0 HB2 ALA A 83 19.945 9.611 11.602 1.00 0.00 H new ATOM 0 HB3 ALA A 83 21.574 9.968 10.981 1.00 0.00 H new TER 1270 ALA A 83